We have developed a global mapping procedure, where crystal strutucre coordinates are refined to XAS data using the ab initio XAS code FEFF 6.01. A grid of hundreds of simulations are directly compared to the experimental data without the use of non-linear least squares fitting procedures to find the interatomic distances. Instead, each simulation is performed with different interatomic distances. The emphasis is on mapping the local and global minima and providing a detailed visual picture and error analysis in the comparison of alternative structures. The three dimensional structural coordinates utilized in the simulations are based on crystal structure models derived from structural databases. Thus, a particular geometry for the metal site is incorporated in this choice. Alternative structures with different geometries can also be selected, processed, and compared. This makes the structural assumptions about the site explicit and they must be justified based on ancillary structural information. Our suite of programs (called AUTOFIT 1.0) vary selected bond distances, compare the resulting ab initio simulations to the experimental data, and compute and plot a figure that displays 400-500 alternative solutions simultaneously. These programs are available to outside users free of charge and have been readied for release along with a manual for using the code.